SCHEMBL21409013

SCHEMBL21409013

COC(=O)[C@@H]1C[C@@H](N2Cc3ccccc3C2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
NAMPT P43490 3/20 0.45
AGTR2 P50052 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
HTRA1 Q92743 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
PRMT5 O14744 4/20 0.41
WDR77 Q9BQA1 4/20 0.41
PRSS1 P07477 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP2 P08253 1/20 0.39
HSD11B1 P28845 1/20 0.39
PARP1 P09874 1/20 0.39
MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10254818 0.81 NR1H2 (0.43) PTPN1AGTR2NR1H2NR1H3HTRA1
SCHEMBL14544516 0.81 CALCRL (0.44) PTPN1NAMPTNR1H2NR1H3PARP1
SCHEMBL14521948 0.81 CALCRL (0.44) PTPN1NAMPTNR1H2NR1H3PARP1
SCHEMBL8191840 0.81 NAMPT (0.47) PTPN1NAMPTNR1H2NR1H3HTRA1
SCHEMBL4413682 0.81 NAMPT (0.47) PTPN1NAMPTNR1H2NR1H3HTRA1
SCHEMBL13573806 0.81 NAMPT (0.47) PTPN1NAMPTNR1H2NR1H3HTRA1
SCHEMBL29443079 0.80 PTPN1 (0.65) PTPN1NAMPTNR1H2NR1H3
SCHEMBL21490343 0.80 PTPN1 (0.65) PTPN1NAMPTNR1H2NR1H3
SCHEMBL2737917 0.80 PTPN1 (0.65) PTPN1NAMPTNR1H2NR1H3
SCHEMBL29524293 0.80 CCNT1 (0.41) PTPN1AGTR2NR1H2NR1H3CCNT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
EP-3773555-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-02-17 EP disclosed
CN-112165938-A Factor XIIA inhibitors 利兹大学 2021-01-01 CN disclosed
WO-2019186164-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2019-10-03 WO disclosed
WO-2019186164-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2019-10-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 PTPN1 2909/4885NAMPT 1419/4885AGTR2 1006/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.